SCHEMBL13946809

SCHEMBL13946809

CCN1CCN(c2nc(Nc3ccc(C)cc3)c3cnn(C)c3n2)CC1

nearest known ligand 0.68

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 16/20 0.68
▸ LMNA P02545 1/20 0.55
▸ HAVCR2 Q8TDQ0 1/20 0.51
▸ PIK3CA P42336 2/20 0.51

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13944194 0.90 HTR2C (0.80) HTR2CPIK3CA
SCHEMBL13942982 0.89 HTR2C (0.74) HTR2CPIK3CA
SCHEMBL13947359 0.88 HTR2C (0.62) HTR2CLMNAPIK3CA
SCHEMBL13947563 0.84 HTR2C (0.83) HTR2C
SCHEMBL13947037 0.84 HTR2C (0.80) HTR2C
SCHEMBL13943704 0.84 HTR2C (0.60) HTR2CPIK3CA
SCHEMBL13943676 0.83 KDM4E (0.62) HTR2CPIK3CA
SCHEMBL13944743 0.81 HTR2C (0.82) HTR2CPIK3CA
SCHEMBL3756996 0.81 HTR2C (1.00) HTR2C
SCHEMBL13946796 0.80 HTR2C (0.58) HTR2CPIK3CA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2025678-A1 Pyrazolo[3,4-d]pyrimidine compounds and their use as modulators of protein kinase Oncalis AG (CH) 2009-02-18 — — EP disclosed
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